Home > Compound List > Compound details
14325-24-7 molecular structure
click picture or here to close

manganese(2+) ion 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide

ChemBase ID: 303339
Molecular Formular: C32H16MnN8
Molecular Mass: 567.461089
Monoisotopic Mass: 567.08783765
SMILES and InChIs

SMILES:
c1cc2c3/N=C/4\N=C(/N=c/5\[n-]/c(=N\C6=N/C(=N\c(c2cc1)[n-]3)/c1c6cccc1)/c1c5cccc1)c1c4cccc1.[Mn+2]
Canonical SMILES:
c1ccc2c(c1)C1=N/C/2=N\c2[n-]c(c3c2cccc3)/N=C/2\N=C(/N=c/3\[n-]/c(=N\1)/c1ccccc31)c1c2cccc1.[Mn+2]
InChI:
InChI=1S/C32H16N8.Mn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKey:
ICIFYHOILPYQKB-UHFFFAOYSA-N

Cite this record

CBID:303339 http://www.chembase.cn/molecule-303339.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
manganese(2+) ion 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide
IUPAC Traditional name
manganese(2+) ion 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide
Synonyms
Manganese(II) phthalocyanine
酞菁化锰(II)
CAS Number
14325-24-7
MDL Number
MFCD00049821

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39309 external link Add to cart
Data Source Data ID Price
Alfa Aesar
39309 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.613623  H Acceptors
H Donor LogD (pH = 5.5) 6.489162 
LogD (pH = 7.4) 6.489163  Log P 6.489163 
Molar Refractivity 156.9528 cm3 Polarizability 61.644337 Å3
Polar Surface Area 103.12 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle